dimethyl 3-[4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C16H18ClN5O5S MolecularWeight: 427.86262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C16H18ClN5O5S/c1-26-12(23)4-10(5-13(24)27-2)22-8-9(6-19-22)20-15(25)14-11(17)7-18-16(21-14)28-3/h6-8,10H,4-5H2,1-3H3,(H,20,25)